CID 132341998

3-(1-{[(9h-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-3-yl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1CN(CC1C2=CC(=NN2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C23H21N3O4/c27-22(28)21-11-20(24-25-21)14-9-10-26(12-14)23(29)30-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,11,14,19H,9-10,12-13H2,(H,24,25)(H,27,28)
InChIKey
AIHLIFUUBBLYFV-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-3-yl]-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.160476 194.2
[M+Na]+ 426.142418 199.8
[M-H]- 402.145924 200.6
[M+NH4]+ 421.187023 206.3
[M+K]+ 442.116358 194.6
[M+H-H2O]+ 386.150460 186.1
[M+HCOO]- 448.151401 208.0
[M+CH3COO]- 462.167051 202.4
[M+Na-2H]- 424.127866 189.3
[M]+ 403.15265142 193.6
[M]- 403.15374858 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.